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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
10-(4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl)-1,8-dihydroxy-2-methoxy-6-methyl-10H-anthracen-9-one
508.50
6.5
4
7
124.29
2
4-[2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
334.40
3.4
2
4
66.76
4
[(2S,3R,4R,5S,6S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] acetate
490.40
1.4
6
12
196.35
5
Crocin 5
434.40
1.6
5
9
153.75
11
Wistin
460.40
1
4
10
148.05
6
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2,3,4,5-tetrahydroxypentoxy)oxan-2-yl]methyl (2S,4aS,5R,6aR,6aS,6bR,8aR,9R,12aS)-10-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-4a,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-2-carboxylate
1107.20
-3.3
16
24
405.36
17
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione
238.28
2.1
0
4
68.28
2
(1R,4aS,8aS)-5,5,8a-trimethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-1,4,4a,6,7,8-hexahydronaphthalene-2-carbaldehyde
286.50
6.2
0
1
17.07
4
[(1R,4aS,8aS)-5,5,8a-trimethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-1,4,4a,6,7,8-hexahydronaphthalen-2-yl]methanol
288.50
5.7
1
1
20.23
4
(1R,4aS,8aS)-5,5,8a-trimethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acid
302.50
6.3
1
2
37.3
4
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[2-[(3R,3aS,5aR,5bR,7aS,11aR,11bR,13aR,13bR)-4-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-9-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-2-yloxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
917.10
1.7
11
17
277.91
9
[(1R,2S,3E,5S,7E,10R,13S)-2,10,13-triacetyloxy-5-hydroxy-8,12,15,15-tetramethyl-9-oxo-4-bicyclo[9.3.1]pentadeca-3,7,11-trienyl]methyl acetate
534.60
1.4
1
10
142.5
9
[(1R,2S,3E,5S,7E,10R,13S)-2,10,13-triacetyloxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-9-oxo-5-bicyclo[9.3.1]pentadeca-3,7,11-trienyl] acetate
534.60
1.4
1
10
142.5
9
[(2R,4E,7S,8E,10S,11R,13S)-2-acetyloxy-7,10-dihydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethyl-3-oxo-13-bicyclo[9.3.1]pentadeca-1(14),4,8-trienyl] acetate
450.50
0.8
3
8
130.36
5
4,8,9-trihydroxy-2,3,3-trimethyl-6-(3-methylbut-2-enyl)-2H-furo[3,2-b]xanthen-5-one
396.40
5.7
3
6
100.13
2
Acumitin
466.50
6.5
3
6
107.97
6
(3R,3aR,7S,8aR)-3,7-dimethyl-6-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one
414.50
0.9
4
8
125.68
6
(3S,3aR,7S,8aR)-3,7-dimethyl-6-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one
414.50
0.9
4
8
125.68
6
(2S,3R,4S,5S,6R)-2-(2,2-dimethylchromen-7-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
338.40
0.2
4
7
108.61
3
(3S)-5-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,6,13-triol
286.28
2.1
3
5
79.15
1
(3R)-5-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,6,13-triol
286.28
2.1
3
5
79.15
1
artoindonesianin B
468.50
4.8
3
8
118.59
5
Ursa-12,18-dien-3-ol, (3I(2))-
424.70
8.2
1
1
20.23
0
Butanenitrile, 4-(methylthio)-
115.20
0.9
0
2
49.09
3
[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
604.90
12.5
1
4
55.76
10
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